Geometry & MOs

Info

ID:	334366
PubChem CID:	127252918
Reduced:	ClN3O5H16C18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	457.129215
ΔH_f, kcal/mol:	-138.32
Dipole, Da:	7.13
IP(EA), eV:	-9.04(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[3-(1-hydroxyethyl)anilino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)O)OCO3)CNC(=O)C4=C(N=CC=C4)Cl

DOS

IR

Vibrations